CID 563074

31694-90-3

Structural Information

Molecular Formula

C₈H₉N₅

SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)N

InChI

InChI=1S/C8H9N5/c9-8-10-11-12-13(8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,12)

InChIKey

CGGBUAWMFFPBOD-UHFFFAOYSA-N

Compound name

1-benzyltetrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 175.0858 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	176.09308	135.5
[M+Na]+	198.07502	144.9
[M-H]-	174.07852	137.0
[M+NH4]+	193.11962	151.4
[M+K]+	214.04896	141.5
[M+H-H2O]+	158.08306	125.9
[M+HCOO]-	220.08400	157.8
[M+CH3COO]-	234.09965	148.2
[M+Na-2H]-	196.06047	143.0
[M]+	175.08525	134.1
[M]-	175.08635	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe